Detailed information for compound 502395

Basic information

Technical information
  • TDR Targets ID: 502395
  • Name: N-[6-[[2-(naphthalen-2-ylmethylamino)acetyl]a mino]-1,3-benzothiazol-2-yl]cyclohexanecarbox amide
  • MW: 472.602 | Formula: C27H28N4O2S
  • H donors: 3 H acceptors: 3 LogP: 5.49 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc2c(c1)sc(n2)NC(=O)C1CCCCC1)CNCc1ccc2c(c1)cccc2
  • InChi: 1S/C27H28N4O2S/c32-25(17-28-16-18-10-11-19-6-4-5-9-21(19)14-18)29-22-12-13-23-24(15-22)34-27(30-23)31-26(33)20-7-2-1-3-8-20/h4-6,9-15,20,28H,1-3,7-8,16-17H2,(H,29,32)(H,30,31,33)
  • InChiKey: HNPHQKOMBVRBKS-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[6-[[2-(2-naphthylmethylamino)acetyl]amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
  • N-[6-[[2-(2-naphthalenylmethylamino)-1-oxoethyl]amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
  • N-[6-[2-(naphthalen-2-ylmethylamino)ethanoylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
  • N-[6-[[2-(2-naphthylmethylamino)-1-oxoethyl]amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
  • AIDS-227196
  • AIDS227196
  • Cyclohexanecarboxamide, N-[6-[[2-[(2-naphthalenylmethyl)amino]acetyl]amino]-2-benzothiazolyl]-

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Candida albicans myristoyl-CoA:protein N-myristoyltransferase that is capable of functional substitution for S. cerevisiae NMT1 (YLR195C) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi N-myristoyltransferase 2 Get druggable targets OG5_127597 All targets in OG5_127597
Echinococcus multilocularis glycylpeptide N tetradecanoyltransferase Get druggable targets OG5_127597 All targets in OG5_127597
Cryptosporidium parvum N-myristoyltransferase Get druggable targets OG5_127597 All targets in OG5_127597
Candida albicans myristoyl-CoA:protein N-myristoyltransferase that is capable of functional substitution for S. cerevisiae NMT1 (YLR195C) Get druggable targets OG5_127597 All targets in OG5_127597
Loa Loa (eye worm) N-myristoyltransferase 2 Get druggable targets OG5_127597 All targets in OG5_127597
Trypanosoma brucei gambiense N-myristoyl transferase, putative Get druggable targets OG5_127597 All targets in OG5_127597
Entamoeba histolytica glycylpeptide N-tetradecanoyltransferase, putative Get druggable targets OG5_127597 All targets in OG5_127597
Leishmania mexicana N-myristoyl transferase, putative Get druggable targets OG5_127597 All targets in OG5_127597
Leishmania infantum N-myristoyltransferase Get druggable targets OG5_127597 All targets in OG5_127597
Leishmania braziliensis N-myristoyl transferase, putative Get druggable targets OG5_127597 All targets in OG5_127597
Schistosoma japonicum ko:K00671 glycylpeptide N-tetradecanoyltransferase [EC2.3.1.97], putative Get druggable targets OG5_127597 All targets in OG5_127597
Plasmodium falciparum glycylpeptide N-tetradecanoyltransferase Get druggable targets OG5_127597 All targets in OG5_127597
Cryptosporidium hominis N-myristoyltransferase Get druggable targets OG5_127597 All targets in OG5_127597
Schistosoma mansoni N-myristoyltransferase Get druggable targets OG5_127597 All targets in OG5_127597
Candida albicans myristoyl-CoA:protein N-myristoyltransferase that is capable of functional substitution for S. cerevisiae NMT1 (YLR195C) Get druggable targets OG5_127597 All targets in OG5_127597
Trypanosoma brucei N-myristoyl transferase, putative Get druggable targets OG5_127597 All targets in OG5_127597
Plasmodium yoelii N-myristoyltransferase Get druggable targets OG5_127597 All targets in OG5_127597
Plasmodium vivax glycylpeptide N-tetradecanoyltransferase, putative Get druggable targets OG5_127597 All targets in OG5_127597
Babesia bovis myristoyl-CoA:protein N-myristoyltransferase, N-terminal domain containing protein Get druggable targets OG5_127597 All targets in OG5_127597
Trypanosoma cruzi N-myristoyl transferase, putative Get druggable targets OG5_127597 All targets in OG5_127597
Trypanosoma congolense N-myristoyl transferase, putative Get druggable targets OG5_127597 All targets in OG5_127597
Plasmodium knowlesi glycylpeptide N-tetradecanoyltransferase, putative Get druggable targets OG5_127597 All targets in OG5_127597
Plasmodium berghei glycylpeptide N-tetradecanoyltransferase, putative Get druggable targets OG5_127597 All targets in OG5_127597
Giardia lamblia CDC72 Get druggable targets OG5_127597 All targets in OG5_127597
Trypanosoma brucei N-myristoyltransferase Get druggable targets OG5_127597 All targets in OG5_127597
Trichomonas vaginalis N-myristoyl transferase, putative Get druggable targets OG5_127597 All targets in OG5_127597
Leishmania major N-myristoyl transferase, putative Get druggable targets OG5_127597 All targets in OG5_127597
Neospora caninum hypothetical protein Get druggable targets OG5_127597 All targets in OG5_127597
Trypanosoma cruzi N-myristoyl transferase, putative Get druggable targets OG5_127597 All targets in OG5_127597
Echinococcus granulosus glycylpeptide N tetradecanoyltransferase Get druggable targets OG5_127597 All targets in OG5_127597
Theileria parva N-myristoyltransferase, putative Get druggable targets OG5_127597 All targets in OG5_127597
Leishmania donovani N-myristoyltransferase Get druggable targets OG5_127597 All targets in OG5_127597

By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Entamoeba histolytica glycylpeptide N-tetradecanoyltransferase, putative 0.0216 0.8996 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0156 0.0156
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0232 0.98 1
Schistosoma mansoni N-myristoyltransferase 0.0216 0.8996 1
Giardia lamblia CDC72 0.0216 0.8996 0.5
Leishmania major N-myristoyl transferase, putative 0.0216 0.8996 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0156 0.0156
Trypanosoma cruzi N-myristoyl transferase, putative 0.0216 0.8996 1
Echinococcus granulosus glycylpeptide N tetradecanoyltransferase 0.0216 0.8996 1
Brugia malayi N-myristoyltransferase 2 0.0216 0.8996 0.898
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0156 0.0156
Echinococcus multilocularis short transient receptor potential channel 6 0.0065 0.1558 0.1585
Mycobacterium ulcerans lipase LipD 0.0036 0.0156 0.5
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0156 0.5
Mycobacterium leprae Probable lipase LipE 0.0036 0.0156 0.5
Plasmodium falciparum glycylpeptide N-tetradecanoyltransferase 0.0216 0.8996 0.5
Echinococcus multilocularis glycylpeptide N tetradecanoyltransferase 0.0216 0.8996 1
Schistosoma mansoni transient receptor potential channel 4 0.0098 0.3191 0.3433
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0156 0.5
Toxoplasma gondii ABC1 family protein 0.0036 0.0156 0.5
Onchocerca volvulus 0.0036 0.0156 0.5
Echinococcus multilocularis transient receptor potential gamma protein 0.0098 0.3191 0.3433
Brugia malayi Transient-receptor-potential like protein 0.0036 0.0161 0.0005
Schistosoma mansoni transient receptor potential channel 0.0065 0.1558 0.1585
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0236 1 1
Onchocerca volvulus 0.0036 0.0156 0.5
Trypanosoma brucei N-myristoyl transferase, putative 0.0216 0.8996 1
Mycobacterium ulcerans hypothetical protein 0.0036 0.0156 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0161 0.0161
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0057 0.1161 0.1137
Echinococcus granulosus transient receptor potential ion channel A 0.0095 0.303 0.3251
Schistosoma mansoni transient receptor potential channel 0.0098 0.3191 0.3433
Echinococcus granulosus transient receptor potential gamma protein 0.0098 0.3191 0.3433
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0036 0.0161 0.0005
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0156 0.5
Echinococcus multilocularis short transient receptor potential channel 6 0.0065 0.1558 0.1585
Loa Loa (eye worm) hypothetical protein 0.0098 0.3191 0.3191
Onchocerca volvulus 0.0036 0.0156 0.5
Echinococcus granulosus short transient receptor potential channel 6 0.0065 0.1558 0.1585
Loa Loa (eye worm) beta-lactamase 0.0036 0.0156 0.0156
Schistosoma mansoni transient receptor potential channel 0.0065 0.1558 0.1585
Plasmodium vivax glycylpeptide N-tetradecanoyltransferase, putative 0.0216 0.8996 1
Mycobacterium ulcerans beta-lactamase 0.0036 0.0156 0.5
Trichomonas vaginalis N-myristoyl transferase, putative 0.0142 0.5351 0.5876
Loa Loa (eye worm) hypothetical protein 0.0036 0.0156 0.0156
Loa Loa (eye worm) N-myristoyltransferase 2 0.0216 0.8996 0.8996
Loa Loa (eye worm) hypothetical protein 0.0062 0.1397 0.1397
Loa Loa (eye worm) hypothetical protein 0.0036 0.0156 0.0156
Echinococcus multilocularis transient receptor potential ion channel A 0.0095 0.303 0.3251
Trichomonas vaginalis N-myristoyl transferase, putative 0.0216 0.8996 1
Trypanosoma cruzi N-myristoyl transferase, putative 0.0216 0.8996 1
Echinococcus granulosus short transient receptor potential channel 6 0.0065 0.1558 0.1585
Loa Loa (eye worm) hypothetical protein 0.0036 0.0156 0.0156
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0057 0.1161 0.1137
Trypanosoma brucei N-myristoyltransferase 0.0216 0.8996 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0156 0.0156
Echinococcus granulosus TRP transient receptor potential channel 0.0036 0.0161 0.0005
Schistosoma mansoni lipoxygenase 0.0057 0.1161 0.1137

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.3 uM Inhibition of Candida albicans N-myristoyltransferse ChEMBL. 17349719
IC50 (binding) = 2.3 uM Inhibition of Candida albicans N-myristoyltransferse ChEMBL. 17349719
Log IC50 (binding) = -0.362 uM Inhibition of Candida albicans N-myristoyltransferse ChEMBL. 17349719
Log IC50 (binding) = -0.362 uM Inhibition of Candida albicans N-myristoyltransferse ChEMBL. 17349719

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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